| CAS Number | 1258639-47-2 |
| Catalog Number | AG01AAFT |
| Chemical Name | 2-[(piperazin-1-yl)methyl]quinazolin-4-amine trihydrochloride |
| IUPAC Name | 2-(piperazin-1-ylmethyl)quinazolin-4-amine;trihydrochloride |
| InChI | InChI=1S/C13H17N5.3ClH/c14-13-10-3-1-2-4-11(10)16-12(17-13)9-18-7-5-15-6-8-18;;;/h1-4,15H,5-9H2,(H2,14,16,17);3*1H |
| InChI Key | OXLFIGXUSOHYBZ-UHFFFAOYSA-N |
| MDL Number | MFCD17167172 |
| Molecular Formula | C13H20Cl3N5 |
| Molecular Weight | 352.6904 |
| SMILES | Cl.Cl.Cl.NC1=C2C(C=CC=C2)=NC(CN2CCNCC2)=N1 |
| Synonyms | 2-(piperazin-1-ylmethyl)quinazolin-4-amine trihydrochloride,
1258639-47-2,
NE27739,
EN300-68467,
AC1Q3ACA,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 351.078429g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 352.7g/mol |
| Monoisotopic Mass | 351.078429g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number